SCHEMBL1744387

SCHEMBL1744387

CCOC(=O)c1c(S(N)(=O)=O)c(C)n(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 4/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 4/20 0.47
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PDE4D Q08499 1/20 0.46
AR P10275 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 2/20 0.45
KDM4C Q9H3R0 1/20 0.45
RECQL P46063 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL23112805 0.88 MEN1 (0.53) ALDH1A1MAPTGAAKMT2AL3MBTL1
SCHEMBL23732220 0.81 ALDH1A1 (0.51) ALDH1A1MAPTGAATSHRKMT2A
SCHEMBL23732217 0.79 ALDH1A1 (0.48) ALDH1A1MAPTGAATSHRKMT2A
SCHEMBL3032620 0.75 CHRNA7 (0.60) ALDH1A1KMT2AMEN1ARHPGD
SCHEMBL23127902 0.74 GAA (0.47) ALDH1A1MAPTGAAKMT2AL3MBTL1
SCHEMBL9204410 0.72 TSHR (0.51) ALDH1A1MAPTTSHRKMT2AL3MBTL1
SCHEMBL23732167 0.71 SMN1; SMN2 (0.54) ALDH1A1MAPTGAATSHRKMT2A
SCHEMBL11789226 0.71 MAPT (0.60) ALDH1A1MAPTGAAKMT2AL3MBTL1
SCHEMBL12821852 0.70 CHRNA7 (0.65) ALDH1A1KMT2AMEN1HPGDKDM4E
SCHEMBL24157409 0.69 ALDH1A1 (0.59) ALDH1A1MAPTGAATSHRKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3095784-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Inc. (US) 2016-11-23 EP disclosed
US-9493431-B2 Apoptosis-inducing agent for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2387559-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-06-29 EP disclosed
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-01-07 US disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2013-07-18 US disclosed
US-8338466-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
EP-2387559-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-11-23 EP disclosed
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 US disclosed
WO-2010083442-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-07-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100184766-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MAPT 4105/4885GAA 2733/4885
US-20160002187-A1 APOPTOSIS-INDUCING AGENT FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4294/4885MAPT 4010/4885GAA 2728/4885
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 ALDH1A1 4257/4885MAPT 4105/4885GAA 2733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.